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N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

CAS: 950736-05-7

Formula: C29H24F3N5O

SMILES: CN(C)CC1=CC=C(C=C1)C1=C2N=CC=C(N2N=C1)C1=CC(NC(=O)C2=CC=CC(=C2)C(F)(F)F)=CC=C1

IUPAC: N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

InChI: InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38)

Composition: C (67.56%), H (4.69%), F (11.06%), N (13.58%), O (3.10%)

Molar Mass: 515.54

Atom Count: 62

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 515.193294902
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey AIWJVLQNYNCDSL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 153.97
Topological Polar Surface Area 62.53
Polarizability 54.81
Ring Count 5
Rotatable Bond Count 7

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Purity LeadTime CAS UnitPrice
98% <10 Days 950736-05-7 Quote Only
Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 950736-05-7 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 950736-05-7 $139.12-$1,112.20$139.12$192.63$288.94$520.56$703.25$1,112.20
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